(5-chloro-6-methoxypyrimidin-4-yl)-methoxymethanol

C7H9ClN2O3 — CID 139564861

IUPAC(5-chloro-6-methoxypyrimidin-4-yl)-methoxymethanol
SMILESCOc1ncnc(C(O)OC)c1Cl
InChIInChI=1S/C7H9ClN2O3/c1-12-6-4(8)5(7(11)13-2)9-3-10-6/h3,7,11H,1-2H3
InChIKeyBPOLNJJLMGSAND-UHFFFAOYSA-N
MW204.61 g/mol
LogP0.78
Rot. Bonds3

About (5-chloro-6-methoxypyrimidin-4-yl)-methoxymethanol

(5-chloro-6-methoxypyrimidin-4-yl)-methoxymethanol (PubChem CID 139564861) has the molecular formula C7H9ClN2O3 and a molecular weight of 204.61 g/mol. Its IUPAC name is (5-chloro-6-methoxypyrimidin-4-yl)-methoxymethanol.

Molecular Properties

Compound Name(5-chloro-6-methoxypyrimidin-4-yl)-methoxymethanol
PubChem CID139564861
Molecular FormulaC7H9ClN2O3
Molecular Weight204.61 g/mol
Exact Mass204.03
IUPAC Name(5-chloro-6-methoxypyrimidin-4-yl)-methoxymethanol
SMILESCOc1ncnc(C(O)OC)c1Cl
InChIInChI=1S/C7H9ClN2O3/c1-12-6-4(8)5(7(11)13-2)9-3-10-6/h3,7,11H,1-2H3
InChIKeyBPOLNJJLMGSAND-UHFFFAOYSA-N
XLogP0.78
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.61
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

5-Chloro-4-methoxy-6-methylpyrimidine
CID 18953278
(6-Methoxy-5-methylpyrimidin-4-YL)methanol
CID 73424794
5-Chloro-4-methoxy-6-(methoxymethyl)pyrimidine
CID 129090872
[5-Chloro-6-[3-(dimethylamino)propoxy]pyrimidin-4-yl]methanediol
CID 129211807
(5-Chloro-6-methoxypyrimidin-4-yl)methanediol
CID 132032577

Frequently Asked Questions

What is the IUPAC name of (5-chloro-6-methoxypyrimidin-4-yl)-methoxymethanol?
The IUPAC name of (5-chloro-6-methoxypyrimidin-4-yl)-methoxymethanol (CID 139564861) is (5-chloro-6-methoxypyrimidin-4-yl)-methoxymethanol.
What is the SMILES notation for (5-chloro-6-methoxypyrimidin-4-yl)-methoxymethanol?
The canonical SMILES for (5-chloro-6-methoxypyrimidin-4-yl)-methoxymethanol is COc1ncnc(C(O)OC)c1Cl.
What is the InChIKey of (5-chloro-6-methoxypyrimidin-4-yl)-methoxymethanol?
The InChIKey is BPOLNJJLMGSAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O3/c1-12-6-4(8)5(7(11)13-2)9-3-10-6/h3,7,11H,1-2H3.
What are the key properties of (5-chloro-6-methoxypyrimidin-4-yl)-methoxymethanol?
(5-chloro-6-methoxypyrimidin-4-yl)-methoxymethanol has a molecular weight of 204.61 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-6-methoxypyrimidin-4-yl)-methoxymethanol is sourced from PubChem (CID 139564861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).